{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.805962 0.75 ] [ 0.5 0.194038 0.25 ] [ 0 0.10153 0.75 ] [ 0 0.89847 0.25 ] [ 0 0.305962 0.75 ] [ 0 0.694038 0.25 ] [ 0.5 0.60153 0.75 ] [ 0.5 0.39847 0.25 ] [ 0.5 0.877129 0.75 ] [ 0.5 0.122871 0.25 ] [ 0 0.174516 0.75 ] [ 0 0.825484 0.25 ] [ 0 0.046373 0.25 ] [ 0 0.953627 0.75 ] [ 0.5 0.953618 0.25 ] [ 0.5 0.046382 0.75 ] [ 0.5 0.750017 0.25 ] [ 0.5 0.249983 0.75 ] [ 0 0.377129 0.75 ] [ 0 0.622871 0.25 ] [ 0.5 0.674516 0.75 ] [ 0.5 0.325484 0.25 ] [ 0.5 0.546373 0.25 ] [ 0.5 0.453627 0.75 ] [ 0 0.453618 0.25 ] [ 0 0.546382 0.75 ] [ 0 0.250017 0.25 ] [ 0 0.749983 0.75 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.43655262634 "source-unit" "angstrom" } "b" { "source-value" 45.869387977 "source-unit" "angstrom" } "c" { "source-value" 4.44038791 "source-unit" "angstrom" } }